Thiolane-2,5-dione
TL;DR: Thiolane-2,5-dione (CAS 3194-60-3) is a chemical compound with molecular formula C4H4O2S and molecular weight 115.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiolane-2,5-dione
Also Known As: thiolane-2,5-dione, succinic thioanhydride, 2,5-thiophenedione, Dihydrothiophene-2,5-dione, succinic acid thioanhydride
| Molecular Formula | C4H4O2S |
|---|---|
| Molecular Weight | 115.99 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.9932 |
| Heavy Atoms | 7 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 3194-60-3 |
|---|---|
| SMILES | C1CC(=O)SC1=O |
| InChIKey | INKIPSJJIQBVKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiolane-2,5-dione (CAS 3194-60-3), with molecular formula C4H4O2S and molecular weight 115.99 g/mol. IUPAC: thiolane-2,5-dione.
Chemical Property Profile of Thiolane-2,5-dione
Property Insights of Thiolane-2,5-dione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiolane-2,5-dione. With a topological polar surface area (TPSA) of 59.4 Ų, Thiolane-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiolane-2,5-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiolane-2,5-dione?
The CAS number of Thiolane-2,5-dione is 3194-60-3.
What is the molecular formula of Thiolane-2,5-dione?
The molecular formula of Thiolane-2,5-dione is C4H4O2S.
What is the molecular weight of Thiolane-2,5-dione?
The molecular weight of Thiolane-2,5-dione is 115.99 g/mol.
Where can I buy Thiolane-2,5-dione?
You can request a quote for Thiolane-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiolane-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for Thiolane-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.